Mol:BMAXS3AKq001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
6 14 1 6 0 0 0
7 8 1 0 0 0 0
8 15 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
5 13 2 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 12 1 0 0 0 0
1 11 2 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMAXS3AKq001
NAME (R)-Pantothenic acid
FORMULA C9H17NO5
EXACTMASS 219.1106
AVERAGEMASS 219.235
SMILES OCC(C)(C)[C@@H](O)C(=O)NCCC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00864
M END
</pre>
